Bright Frenkel excitons in molecular crystals: a survey

T Nematiaram, D Padula, A Troisi - Chemistry of Materials, 2021 - ACS Publications
We computed the optical properties of a large set of molecular crystals (∼ 2200 structures)
composed of molecules whose lowest excited states are strongly coupled and generate …

Ultrafast carrier dynamics at organic donor–acceptor interfaces—a quantum-based assessment of the hopping model

MFX Dorfner, S Hutsch, R Borrelli… - Journal of Physics …, 2022 - iopscience.iop.org
We investigate the charge transfer dynamics of photogenerated excitons at the donor–
acceptor interface of an organic solar cell blend under the influence of molecular vibrations …

Impact of electron–phonon coupling on the quantum yield of photovoltaic devices

T Nematiaram, A Asgari, D Mayou - The Journal of Chemical Physics, 2020 - pubs.aip.org
In describing the charge carriers' separation mechanism in the organic solar cell, providing a
method, which considers the impact of all parameters of interest on the same footing within …

On the role of driving force in molecular photocells

F Sánchez, C Amador-Bedolla, V Sánchez… - Physica B: Condensed …, 2020 - Elsevier
Exciton diffusion in organic solar cells constitutes a major issue for the next generation of
photovoltaic devices, where the competition between driving force and Coulomb attraction …

Exciton dissociation in correlated molecular photocells

F Sánchez, C Amador-Bedolla, V Sánchez… - Journal of Physics and …, 2021 - Elsevier
Electron-hole separation is a crucial process for the photocurrent generation in organic solar
cells, where the interaction of molecular photocells and its influence on the energy …